SCHEMBL1616728

SCHEMBL1616728

C=CCNCc1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
OPRK1 P41145 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
CASR P41180 2/20 0.45
MTNR1A P48039 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1229637 0.79 LOXL2 (0.60) IDO1OPRK1LOXL2HDAC3HDAC1
SCHEMBL11982489 0.78 OPRK1 (0.57) IDO1OPRK1LOXL2HDAC3HDAC1
SCHEMBL325463 0.78 LOXL2 (0.58) IDO1LOXL2MTNR1AMTNR1BCYP2A6
SCHEMBL31105584 0.78 LOXL2 (0.58) IDO1LOXL2MTNR1AMTNR1BCYP2A6
SCHEMBL8184923 0.77 LOXL2 (0.53) IDO1OPRK1LOXL2HDAC3HDAC1
SCHEMBL4104078 0.77 OPRK1 (0.73) IDO1OPRK1LOXL2HDAC3HDAC1
SCHEMBL28876221 0.76 LOXL2 (0.56) IDO1LOXL2MTNR1AMTNR1BCYP2A6
SCHEMBL28876206 0.76 LOXL2 (0.56) IDO1LOXL2MTNR1AMTNR1BCYP2A6
Bromide SCHEMBL27641073 0.76 LOXL2 (0.56) IDO1LOXL2MTNR1AMTNR1BCYP2A6
Ammonia Solution, Strong SCHEMBL28873731 0.76 LOXL2 (0.56) IDO1LOXL2MTNR1AMTNR1BCYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024031155-A1 RADIOPHARMACEUTICALS AdvanCell Isotopes Pty Limited (AU) 2024-02-15 WO disclosed
EP-2721045-B1 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS RADIOMEDIX INC (US) 2017-04-12 EP disclosed
US-9550001-B2 Compositions, methods of synthesis and use of carbohydrate targeted agents RADIOMEDIX INC. (US) 2017-01-24 US disclosed
US-20140228551-A1 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS RADIOMEDIX INC. (US) 2014-08-14 US disclosed
EP-2721045-A2 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS Radiomedix Inc. (US) 2014-04-23 EP disclosed
WO-2012177701-A2 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS RADIOMEDIX INC. (US) 2012-12-27 WO disclosed
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP disclosed
US-7923466-B2 treating in a lengthening of circadian rhythm period with 6-aminomethyl-3-phenylsulfanyl-1H-indole-2-carboxylic acid amide; for treating central nervous system diseases and mood disorders, bipolar disorder and sleep disorders, with an enzyme inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US disclosed
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 US disclosed
EP-1794122-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
WO-2006023467-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A3, CSNK1G3, CSNK1G1 IDO1 60/4885OPRK1 53/4885LOXL2 3151/4885
US-20140228551-A1 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS SLC2A2, SLC2A3, SLC2A1 IDO1 4042/4885OPRK1 1495/4885LOXL2 4242/4885
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1G3, CSNK2A3, CSNK1E IDO1 76/4885OPRK1 53/4885LOXL2 3388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.